HRID301560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID1150

Tryptamine

C10H12N2

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID19660

Carbonate

CO3-2

HCID98077

3-(4-Formylphenyl)-2-propenoic acid

C10H8O3

HCID53401287

Methyl 3-(4-formylphenyl)-2-propenoate

C11H10O3

PRODUCTS

生成物

结构：COC(=O)C=Cc1ccc(CNCCc2c[nH]c3ccccc23)cc1

HCID59036879

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03d2e0573f1d4c9eae8aec9384f3c41a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:27][O:28][C:29]([CH:30]=[CH:31][c:32]1[cH:33][cH:34][c:35]([CH:38]=[O:39])[cH:36][cH:37]1)=[O:40].[CH3:41][OH:42].[CH:1]([c:2]1[cH:3][cH:4][c:5]([CH:6]=[CH:7][C:8]([OH:9])=[O:10])[cH:11][cH:12]1)=[O:13].[Cl:43][CH:44]([Cl:45])[CH3:46].[ClH:14].[K+:47].[K+:48].[NH2:15][CH2:16][CH2:17][c:18]1[cH:19][nH:20][c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]12.[O-:49][C:50]([O-:51])=[O:52]>>[NH:15]([CH2:16][CH2:17][c:18]1[cH:19][nH:20][c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]12)[CH2:38][c:35]1[cH:34][cH:33][c:32]([CH:31]=[CH:30][C:29]([O:28][CH3:27])=[O:40])[cH:37][cH:36]1